TPSS pseudopotential

Alex Kargovsky karg... at
Tue Dec 23 11:37:53 UTC 2008

Hi to all,

I'm searching for a pseudopotential for TPSS calculations. Has anyone done it for H, C,
N and O? Is PBE pp (which is used in  J. VandeVondele et al. J.Chem.Phys. 122, 014515 (2005)) a reasonable choice for TPSS
calculation or better use another pp?

Thanks in advance,
Alex Kargovsky
Faculty of Physics
Moscow State University

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